Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(C=CC(=O)N(CC2=CC=CC=N2)C2=NC3=C(S2)C=CC=C3Cl)=C1
InChIKey
InChIKey=KZAXJZBJCIFLNS-UHFFFAOYSA-N
Formula
C22H15ClN4O3S
Mass
450.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Benzothiazoles Nitrobenzenes Styrenes Nitroaromatic compounds Pyridines and derivatives Aryl chlorides Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - 1,3-benzothiazole - Nitrobenzene - Nitroaromatic compound - Styrene - Aryl halide - Monocyclic benzene moiety - Pyridine - Aryl chloride - Benzenoid - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Thiazole - Organic nitro compound - Carboxamide group - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Carbonyl group - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available